REMARK  Name = BDB015681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.371   0.149   0.278  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.291   1.133  -0.332  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.627   0.999  -0.337  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -2.312   0.010   0.255  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.591  -0.950   0.870  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.215  -0.908   0.925  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.350  -2.055   1.509  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.555  -1.788   2.050  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -4.324  -2.761   2.674  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -5.608  -2.372   3.235  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.907  -4.084   2.782  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.532  -4.983   3.336  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.595  -4.395   2.159  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -1.879  -3.432   1.564  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.770   0.384   0.273  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        1.901   1.288  -0.189  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.701  -0.765  -0.544  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        2.831  -0.298  -1.906  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.184  -2.089  -0.269  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.301  -0.606   0.290  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        4.229  -1.223   1.690  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     22  C   LIG    1        5.156   1.479  -0.955  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        4.820   0.838   0.384  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1       -2.410   1.976  -0.936  0.00  0.00    -0.418 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.768   2.763  -1.857  0.00  0.00    +0.202 A 
ATOM     26  C   LIG    1       -1.386   2.261  -3.099  0.00  0.00    +0.168 A 
ATOM     27  F   LIG    1       -1.624   0.979  -3.412  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1       -0.757   3.080  -4.035  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -0.519   4.422  -3.732  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1       -0.917   4.936  -2.496  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -1.544   4.104  -1.569  0.00  0.00    +0.168 A 
ATOM     32  F   LIG    1       -1.921   4.614  -0.388  0.00  0.00    -0.202 F 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7